(6-chloranyl-4-oxidanylidene-2-phenyl-chromen-3-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: (6-chloranyl-4-oxidanylidene-2-phenyl-chromen-3-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (6-chloro-4-oxo-2-phenyl-chromen-3-yl) 4-(p-tolylsulfonylamino)butanoate CAS Name: 4-[(4-methylphenyl)sulfonylamino]butanoic acid (6-chloro-4-oxo-2-phenyl-1-benzopyran-3-yl) ester IUPAC Name: (6-chloro-4-oxo-2-phenylchromen-3-yl) 4-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 4-(tosylamino)butyric acid (6-chloro-4-keto-2-phenyl-chromen-3-yl) ester Formula: C26H22ClNO6S MolecularWeight: 511.97398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)OC2=C(OC3=C(C2=O)C=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)OC2=C(OC3=C(C2=O)C=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H22ClNO6S/c1-17-9-12-20(13-10-17)35(31,32)28-15-5-8-23(29)34-26-24(30)21-16-19(27)11-14-22(21)33-25(26)18-6-3-2-4-7-18/h2-4,6-7,9-14,16,28H,5,8,15H2,1H3